N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine

C16H21NOS — CID 39374683

IUPACN-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESCCCOc1cccc(CNCCc2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-2-10-18-15-6-3-5-14(12-15)13-17-9-8-16-7-4-11-19-16/h3-7,11-12,17H,2,8-10,13H2,1H3
InChIKeyNVQLOPQWAKPIEF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.87
Rot. Bonds8

About N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine

N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 39374683) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID39374683
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESCCCOc1cccc(CNCCc2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-2-10-18-15-6-3-5-14(12-15)13-17-9-8-16-7-4-11-19-16/h3-7,11-12,17H,2,8-10,13H2,1H3
InChIKeyNVQLOPQWAKPIEF-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
2-[(3-propoxyphenyl)methylamino]ethyl propanoate
CID 82532842
4-methylsulfanyl-N-[(3-propoxyphenyl)methyl]butan-1-amine
CID 115639219
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine (CID 39374683) is N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine is CCCOc1cccc(CNCCc2cccs2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is NVQLOPQWAKPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-10-18-15-6-3-5-14(12-15)13-17-9-8-16-7-4-11-19-16/h3-7,11-12,17H,2,8-10,13H2,1H3.
What are the key properties of N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 39374683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).